Journal of Physical Chemistry Letters

Papers
(The TQCC of Journal of Physical Chemistry Letters is 11. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-05-01 to 2025-05-01.)
ArticleCitations
Cavity Lasing of Thioflavin T in the Condensed Phase for Discrimination between Surface Interaction and β-Sheet Groove Binding in Alzheimer-Linked Peptides164
Reply to “Comment on ‘Dependence of the Fluorescent Lifetime τ on the Concentration at High Dilution’”: Extended Interpretation148
Issue Editorial Masthead139
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Intersystem and Reverse-Intersystem Crossings in Organic Light-Emitting Diodes135
Unveiling the Racemization in Ferroelectrics with Coupled Ferroelectricity and Optical Activity135
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Spin-Charge Conversion in Chiral Polymers with Hopping Conduction134
Directional Self-Assembly of Programmable Atom-like Nanoparticles into Colloidal Molecules127
Issue Publication Information122
Structure–Activity Relationship of Hemicyanine Molecules: Mitochondrion-Targeting Hemicyanine Fluorescent Molecular Probes for HSO3 Recognition and Near-Infrared Image-Guided Ph121
Metal-Core-Specific Screening with Machine Learning: Accelerating the Discovery of Metal Oxide Clusters for Enhanced EUV Lithography Resolution118
A Rational Way to Control the Triplet State Wave Function Confinement of Organic Chromophores: Effect of the Connection Sites and Spin Density Distribution-Guided Molecular Structure Design Principles117
Ultraviolet Organic Laser from Rhombus Microcrystal: Benefits of Single-Molecule Emission from Twisted Structure107
Metal Halide Perovskite Nanotubes for High-Performance Solar Cells with Ab Initio Analysis104
Interplay between Charge-Density-Wave, Superconductivity, and Ferromagnetism in CuIr2–xCrxTe4 Chalcogenides100
Charge Recombination Dynamics in a Metal Halide Perovskite Simulated by Nonadiabatic Molecular Dynamics Combined with Machine Learning94
Anomalous Transport of Small Polarons Arises from Transient Lattice Relaxation or Immovable Boundaries92
Emergent Magnetism as a Cooperative Effect of Interactions and Reservoir92
Essential vs Removable Bath Anharmonicity: Path Integral Results with Model Electronic-Vibrational Baths91
Understanding the Impact of SAM Fermi Levels on High Efficiency p-i-n Perovskite Solar Cells85
Synaptic Properties of an Interfacial Memristor Based on a Ga2O3/Nb:SrTiO3 Heterojunction84
Tin Metal Cluster Compounds as New Third-Order Nonlinear Optical Materials by Computational Study82
Activating Basal Surface of Palladium by Electronic Modulation via Atomically Dispersed Nitrogen Doping for High-Efficiency Hydrogen Evolution Reaction82
Experimental Observation of a Peculiar Effect in Saturated Electron Paramagnetic Resonance Spectra Undergoing Spin Exchange. Magnetic Polariton?81
Charge “Skin Behavior” of Gold Superatoms81
Epitaxial Orientation Angle Tuned Disk-on-Rod Nanoheterostructures for Boosting Charge Transfer79
Composite Memristors by Nanoscale Modification of Hf/Ta Anodic Oxides79
The Energy Structure of Spin States in Reducing the Nonradiative Voltage Loss in Organic Solar Cells78
Unraveling Ion Migration Mechanisms under Operating Conditions in Perovskite Solar Cells by Variable-Load Transient Photoelectric Technique78
Accurate Determination of the Photosensitizer Stern–Volmer Constant by the Oxygen-Dependent Consumption of 1,3-Diphenylisobenzofuran77
Manipulation of Molecular Vibrations on Condensing Er3+ State Densities for 1.5 μm Application77
Coupling of N2 and O2 in the Gas Phase to Synthesize Nitric Oxide at Room Temperature: A Zeldovich-Like Strategy77
Vibronic Excitons and Conical Intersections in Semiconductor Quantum Dots76
Experimental and Theoretical Insights into Enhanced Hydrogen Evolution over PtCo Nanoalloys Anchored on a Nitrogen-Doped Carbon Matrix76
Acid–Base Surface-Driven NO–CO Conversion over Copper–Manganese-Based Metal Oxides75
Structural Reconstruction of Optically Invisible State in a Single Molecule via Scanning Tunneling Microscope75
Dynamic Chemistry Interactions: Controlled Single-Entity Electrochemistry74
Identifying and Passivating Killer Defects in Pb-Free Double Cs2AgBiBr6 Perovskite73
Surface-Defect States in Photovoltaic Absorber GeSe73
Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor73
Polysaccharide Modified Cathodes for High-Capacity Rechargeable Nonaqueous Li–O2 Batteries73
Optimizing Formation Energy Barrier of NiCo-LDH Cocatalyst to Enhance Photoelectrochemical Benzyl Alcohol Oxidation71
Time-Variable Chiroptical Vibrational Sum-Frequency Generation Spectroscopy of Chiral Chemical Solution69
Low-Temperature Discrimination of Defect States by Exciton Dynamics in Thin-Film MAPbBr3 Perovskite68
Concentration Quantification of the Low-Complexity Domain of Fused in Sarcoma inside a Single Droplet and Effects of Solution Parameters68
High-Performance and Stability Electrochromic Devices with a Water Isotopologue67
Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter67
Machine Learning-Assisted Phase Transition Temperatures from Generalized Replica Exchange Simulations of Dry Martini Lipid Bilayers67
Growth of Clathrate Hydrates in Nanoscale Ice Films Observed Using Electron Diffraction and Infrared Spectroscopy67
Synergetic Catalysis of Magnetic Single-Atom Catalysts Confined in Graphitic-C3N4/CeO2(111) Heterojunction for CO Oxidization66
First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals65
Negative Differential Resistance in Spin-Crossover Molecular Devices65
Coupled Dynamic Characteristics of Mobile Ions in Halide Perovskites65
Trifunctional Trichloroacetic Acid Incorporated Mixed-Halide Perovskites for Spectrally Stable Blue Light-Emitting Diodes64
Inspection of Line Defects in Transition Metal Dichalcogenides Using a Microscopic Hyperspectral Imaging Technique64
Structural Insights into SARS-CoV-2 Nonstructural Protein 1 Interaction with Human Cyclophilin and FKBP1 to Regulate Interferon Production64
Pulse Dipolar Electron Paramagnetic Resonance Spectroscopy Reveals Buffer-Modulated Cooperativity of Metal-Templated Protein Dimerization63
Extreme Ultraviolet Reflection Spectroscopy of Lanthanides and Actinides Using a High Harmonic Generation Light Source63
Peptide-Driven Exfoliation and Dispersion Mechanisms of Graphene in Aqueous Media63
Artificial Tactile Receptor System for Sensitive Pressure–Neural Spike Conversion62
Transferable and Interpretable Prediction of Site-Specific Dehydrogenation Reaction Rate Constants with NMR Spectra62
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High-Resolution NMR of the Hydrogenation Reaction with Parahydrogen in an Inhomogeneous Magnetic Field62
Calprotectin’s Protein Structure Shields Ni–N(His) Bonds from Competing Agents62
Resonant Cavity Modification of Ground-State Chemical Kinetics61
Dimers of Plasmonic Nanocubes to Reach Single-Molecule Strong Coupling with High Emission Yields61
The Nanometer-Scale Proximity of Bilayers Facilitates Intermembrane Lipid Transfer60
Experimental and Theoretical Heterodyne-Detected Sum Frequency Generation Spectroscopy of Isotopically Pure and Diluted Water Surfaces60
Modulating the Energetics of C–H Bond Activation in Methane by Utilizing Metalated Porphyrinic Metal–Organic Frameworks60
Mechanism of Interaction of Water above the Methylammonium Lead Iodide Perovskite Nanocluster: Size Effect and Water-Induced Defective States60
Infrared Spectrum of the Amantadine Cation: Opening of the Diamondoid Cage upon Ionization60
Aromatic Amino Acid-Dependent Surface Assembly of Amphiphilic Peptides for One-Step Graphite Exfoliation and Graphene Functionalization59
Bioinspired Molecular Qubits and Nanoparticle Ensembles That Could Be Initialized, Manipulated, and Read Out under Mild Conditions58
Nonadiabatic Molecular Dynamics Study of the Relaxation Pathways of Photoexcited Cyclooctatetraene58
Simultaneous Photoluminescence and Photothermal Investigation of Individual CH3NH3PbBr3 Microcrystals57
Temperature-Dependent Spin-Driven Dimerization Determines the Ultrafast Dynamics of a Copper(II)-Bound Tripyrrindione Radical57
Identifying Hidden Intracell Symmetries in Molecular Crystals and Their Impact for Multiexciton Generation57
Structural Bistability in RbI Monolayers on Ag(111)57
Synthesis of Size-Tunable Indium Nitride Nanocrystals57
Nucleosome Breathing Facilitates the Search for Hidden DNA Sites by Pioneer Transcription Factors56
Plasmon–Exciton Interaction at the Nanoscale: Silver Is More “Precious” than Gold!56
Efficient Electron Hopping Transport through Azurin-Based Junctions55
Probing Through-Bond and Through-Space Interactions in Singlet Fission-Based Pentacene Dimers55
Entropy-Driven Phase Transition in Nanonucleation via Reciprocal Relations54
Sterically Suppressed Phase Segregation in 3D Hollow Mixed-Halide Wide Band Gap Perovskites54
Physical–Chemical Approach to Designing Drugs with Multiple Targets54
Polyacid-Modulated Carrier Dynamic Behavior at the Interface of 0D/2D Heterojunctions54
Issue Editorial Masthead53
In Silico Design of a Solution-Gated Graphene Transistor Sensor for the Efficient Detection of Guanine Quadruplexes53
Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes53
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Orientational Behavior and Vibrational Response of Glycine at Aqueous Interfaces53
Oxygen-Enhanced Chemical Stability of Lithium-Mediated Electrochemical Ammonia Synthesis53
Revealing a Nonlinear Photocurrent in the Graphene/MoS2 Heterostructure via Terahertz Emission Spectroscopy53
The Cooperativity of Atomic Fluctuations in Highly Supercooled Glass-Forming Metallic Melts53
Long-Range Interfacial Charge Carrier Trapping in Halide Perovskite-C60 and Halide Perovskite-TiO2 Donor–Acceptor Films52
Unravelling High-Load Superlubricity of Ionic Liquid Analogues by In Situ Raman: Incomplete Hydration Induced by Competitive Exchange of External Water with Crystalline Water52
Ensemble Ground State of a Many-Electron System with Fractional Electron Number and Spin: Piecewise-Linearity and Flat-Plane Condition Generalized52
Tailoring p-Type Behavior in ZnO Quantum Dots through Enhanced Sol–Gel Synthesis: Mechanistic Insights into Zinc Vacancies52
JPC Letters in the New Year52
Visualizing Lithiation of Graphite Composite Anodes in All-Solid-State Batteries Using Operando Time-of-Flight Secondary Ion Mass Spectrometry51
Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights51
Visual Monitoring of Biomolecular Self-Assembly Dynamics and Imaging of Protein Aggregates by Distinct Emission of a Unique Hydrophobic Carbon Dot51
Diffusion Analyses along Mean and Gaussian-Curved Membranes with CurD51
Tracking the Facet Transformation of CeO2 by 17O Solid-State Nuclear Magnetic Resonance51
Expanding the Absorption of Double Perovskite Cs2AgBiBr6 to NIR Region51
Nonempirical Adiabatic Connection Correlation Functional from Hartree–Fock Orbitals50
Symmetry-Breaking Charge Separation in a Chiral Bis(perylenediimide) Probed at Ensemble and Single-Molecule Levels50
Cholesterol Hinders the Passive Uptake of Amphiphilic Nanoparticles into Fluid Lipid Membranes50
Softness-Enhanced Self-Assembly of Pyrochlore- and Perovskite-like Colloidal Photonic Crystals from Triblock Janus Particles50
Self-Nanocavity-Confined Halogen Anions Boosting the High Selectivity of the Two-Electron Oxygen Reduction Pathway over Ni-Based MOFs49
Probing Chemical Equilibrium in Frozen Sodium Phosphate Buffer Solution by 31P Solid-State NMR49
Unveiling the Role of Termination Groups in Stabilizing MXenes in Contact with Water49
Atomic Force Microscopy-Based Nanoscale Infrared Techniques for Catalysis49
Convective Instability Driven by Diffusiophoresis of Colloids in Binary Liquid Mixtures49
Dynamic Evolving Exothermicity Steers Ultrafast Formation of a Correlated Triplet Pair State49
Local-Average Free Volume Correlates with Dynamics in Glass Formers49
Hydrogen-Bonded Structures of Water Molecules in Hydroxy-Functionalized Nanochannels of Columnar Liquid Crystalline Nanostructured Membranes Studied by Soft X-ray Emission Spectroscopy49
The Role of Organic and Inorganic Structure-Directing Agents in Selective Al Substitution of Zeolite49
Mid-infrared Laser Spectroscopy of Jet-Cooled Formic Acid Trimer: Mode-Dependent Line Broadening in the C–O Stretching Region49
Stereochemically Active Lone Pair Leads to Birefringence in the Vacancy Ordered Cs3Sb2Cl9 Perovskite Single Crystals48
Entropic Path Sampling: Computational Protocol to Evaluate Entropic Profile along a Reaction Path48
Wetting of a Hydrophobic Surface: Far-IR Action Spectroscopy and Dynamics of Microhydrated Naphthalene48
[4]Triangulenes Modified by Three Oxygen-Boron-Oxygen (OBO) Units: Synthesis, Characterizations, and Anti-Kasha Emissions48
Superior Binding of Proteins on a Silica Surface: Physical Insight into the Synergetic Contribution of Polyhistidine and a Silica-Binding Peptide47
Electrical Doping Regulation of Carrier Recombination Enhances the Perovskite Solar Cell Efficiency beyond 28%47
Coupled Spin-Valley, Rashba Effect, and Hidden Spin Polarization in WSi2N4 Family47
Three-Dimensional Photonic Crystals Based on Porous Anodic Aluminum Oxide47
Exceptionally Enhanced Thermal Conductivity of Aluminum Driven by Extreme Pressures: A First-Principles Study47
Theoretical Perspective on the Design of Surface Frustrated Lewis Pairs for Small-Molecule Activation46
Electrical Control of the Valley–Layer Hall Effect in Ferromagnetic Bilayer Lattices46
Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning45
Solvent Effect on Bond Heterolytic Energy of Nickel Phenolate Complexes in Acetonitrile and Dimethyl Sulfoxide45
Chiral-Induced Spin Selectivity and Non-equilibrium Spin Accumulation in Molecules and Interfaces: A First-Principles Study45
Infrared Spectroscopy of Stepwise Hydration Motifs of Sulfur Dioxide44
Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine44
Nanoscale Hydrophobicity and Electrochemical Mapping Provides Insights into Facet Dependent Silver Nanoparticle Dissolution44
A Deep-Red Emission Phosphor Y2SrAl4SiO12:Ce3+, Cr3+ and Its Utilization in Polycrystalline Silicon Solar Cells44
Three-Dimensional Fully Conjugated Covalent Organic Frameworks for Efficient Photocatalytic Water Splitting43
Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods43
Ferroelectric, Switchable Dielectric and Nonlinear Optical Properties in Inorganic–Organic Lead-Free 1D Hybrids Based on Bi(III) and Azetidine: (C3NH8)2[BiCl543
Chiroptical Activity in All-Inorganic Intrinsically Chiral Perovskite-like Nanocrystals Synthesized via Enantioselective Strategy43
Population Oscillations and Ubiquitous Coherences in Multilevel Quantum Systems Driven by Incoherent Radiation42
Effective Suppression of MIS Interface Defects Using Boron Nitride toward High-Performance Ta-Doped-β-Ga2O3 MISFETs42
Unraveling the Primary Photochemistry of Pyruvic Acid: Direct Observation of Three Competing Channels42
Ce-Doped W18O49 Nanowires for Tuning N2 Activation toward Direct Nitrate Photosynthesis42
Low Surface Potential with Glycoconjugates Determines Insect Cell Adhesion at Room Temperature42
Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission41
Efficient Orange Emission in Mn2+-Doped Cs3Cd2Cl7 Perovskites with Excellent Stability41
Two-Dimensional Ultrahigh Unconventional Piezoelectricity Driven by Charge Screening41
Toward the Golden Age of Materials Informatics: Perspective and Opportunities41
One-Step Green Solvothermal Synthesis of Full-Color Carbon Quantum Dots Based on a Doping Strategy41
Structural and Functional Insights into Metal-Free Perovskites41
MgXN2 (X = Hf/Zr) Monolayers: Auxetic Semiconductor with Highly Anisotropic Optical/Mechanical Properties and Carrier Mobility40
Automated Graph Neural Networks Accelerate the Screening of Optoelectronic Properties of Metal–Organic Frameworks40
Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials40
Neural Ordinary Differential Equations for Forecasting and Accelerating Photon Correlation Spectroscopy40
Molecular-Enhanced Raman Spectroscopy Driven by Phosphoester Electron-Transfer Bridge40
Positional Isomerism of Aromatic Heterocyclic Spacer Cations in Two-Dimensional Dion–Jacobson Hybrid Perovskites40
Heat Transfer Enhancement in Tree-Structured Polymer Linked Gold Nanoparticle Networks40
Dynamic Nuclear Polarization Using Electron Spin Cluster40
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water40
Inverse Design of Next-Generation Superconductors Using Data-Driven Deep Generative Models39
Anomalous NH3-Induced Resistance Enhancement in Halide Perovskite MAPbI3 Film and Gas Sensing Performance39
Impact of Aspect Ratio on Charge Carrier Dynamics and Efficiency Enhancement in CdSe/CdS Dot-in-Rod Nanostructures for Photocatalytic Hydrogen Evolution39
Sulfur-Coordinated Transition Metal Atom in Graphene for Electrocatalytic Nitrogen Reduction with an Electronic Descriptor39
Aromatic Heterocyclic Organic Spacer Cation-Assisted Growth of Large-Grain-Size 2DRP Perovskite Film for Enhanced Solar Cell Performance39
Modulation of Biomolecular Liquid–Liquid Phase Separation by Preferential Hydration and Interaction of Small Osmolytes with Proteins39
Prediction of Metal–Organic Frameworks with Phase Transition via Machine Learning39
Charge-Compensation-Driven Failure Mechanism of Ni Redox in Fe-Rich Ni/Fe/Mn-Based O3-Type Layered Oxide Sodium-Ion Cathodes39
Revealing Brønsted Acidic Bridging SiOHAl Groups on Amorphous Silica–Alumina by Ultrahigh Field Solid-State NMR38
Highly Luminescent Zero-Dimensional Organic Copper Halides for X-ray Scintillation38
Metal Halide Perovskite-Based Memristors for Emerging Memory Applications38
AtomGPT: Atomistic Generative Pretrained Transformer for Forward and Inverse Materials Design38
An H2S-Regulated Artificial Nanochannel Fabricated by a Supramolecular Coordination Strategy38
The Selective Function of Quantum Biological Electron Transfer between DNA Bases and Metal Ions in DNA Replication38
Light-Induced Quantitative and Electrical-Field-Induced Barrierless Switching of Spiropyran Derivative on Graphite Surface38
Hydrogen Bonding in Liquid Ammonia38
Differentiated Functions of Potassium Interface Passivation and Doping on Charge-Carrier Dynamics in Perovskite Solar Cells38
The Effects of Electric Fields on Protein Phase Behavior and Protein Crystallization Kinetics38
Static Disorder in Lead Halide Perovskites37
Cross-Talk of Cation−π Interactions with Electrostatic and Aromatic Interactions: A Salt-Dependent Trade-off in Biomolecular Condensates37
Lithium-Ion Solvation Structure in Organic Carbonate Electrolytes at Low Temperatures37
Synthesis and Structural Characterization of Branched Bimetallic AuPd Nanoparticles with a Highly Tunable Optical Response37
Toward Low Energetic Disorder in Organic Solar Cells: The Critical Role of Polymer Donors37
High-Throughput Computational Screening of Two-Dimensional Semiconductors37
A Data-Driven Search of Two-Dimensional Covalent Organic Frameworks for Visible-Light-Driven Overall Water Splitting37
Pinning Excited State Self-Trapping with All-Benzene Trefoil Knot37
Correction to “Differential Effects of Sequence-Local versus Nonlocal Charge Patterns on Phase Separation and Conformational Dimensions of Polyampholytes as Model Intrinsically Disordered Proteins”37
Chiral Phonons Enhance Ferromagnetism37
Membranes Are Decisive for Maximum Freezing Efficiency of Bacterial Ice Nucleators37
Orbital Dependence in Single-Atom Electrocatalytic Reactions37
Achieving Net-Zero Emissions with Solid Oxide Electrolysis Cells: The Power-to-X Approach37
Guanidinium-Responsive Crown Ether-Based Macrocyclic Amphiphile in Aqueous Medium37
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MagGen: A Graph-Aided Deep Generative Model for Inverse Design of Permanent Magnets36
Ligand Effects on Luminescence of Atomically Precise Gold Nanoclusters36
Spectroscopic Kinetic Insights into the Critical Role of Metal–Oxide Interfaces in Enhancing the Concentration of Surface-Reaching Photoexcited Charges35
Nucleation Engineering in Sprayed MA3Bi2I9 Films for Direct-Conversion X-ray Detectors35
Reducing Nonradiative Recombination in Halide Perovskites through Appropriate Band Gaps and Heavy Atomic Masses35
New Insights in Luminescence and Quenching Mechanisms of Ag2S Nanocrystals through Temperature-Dependent Spectroscopy35
Chiroptical Switching in an Enantiomeric Pair of Binaphthylenes Based on Redox-Active 1,8-Naphthalimide Substituents35
High Efficiency and Narrow Emission Band Pure-Red Perovskite Colloidal Quantum Wells35
Collective Behavior of Single-Atom Catalysts: A Synergistic Effect between Strain and Site Configuration35
Intrachain Exciton Motion Can Compete with Interchain Hopping in Conjugated Polymer Films with a Strong J-Aggregate Property35
A Reappraisal of the S2 State of Nature’s Water Oxidizing Complex in Its Low and High Spin Forms35
Elucidating the Role of Electron Transfer in the Photoluminescence of MoS2 Quantum Dots Synthesized by fs-Pulse Ablation35
Single-Layer Zirconium Dihalides ZrX2 (X = Cl, Br, and I) with Abnormal Ferroelastic Behavior and Strong Anisotropic Light Absorption Ability35
Electronic Tuning of Photoexcited Dynamics in Heteroleptic Cu(I) Complex Photosensitizers34
Coupling Amorphous Ni Hydroxide Nanoparticles with Single-Atom Rh on Cu Nanowire Arrays for Highly Efficient Alkaline Seawater Electrolysis34
Odd–Even Effects in the Structure and Thermal Stability of Carboxylic Acid Anchored Monolayers on Naturally Oxidized Aluminum Surface34
Correlating Viscosity Trends and Ultrafast Structural Dynamics in TMSO–Water and SFL–Water Binary Mixtures34
Direct Detection and Visualization of the H+ Reaction Process in a VO2 Cathode for Aqueous Zinc-Ion Batteries34
Electronic Effect and Regiochemistry of Substitution in Pre-sodiation Chemistry34
Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems34
Pressure-Induced Restricting Intermolecular Vibration of a Herringbone Dimer for Significantly Enhanced Multicolor Emission in Rotor-Free Truxene Crystals34
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data34
Ultrafast Charge Separation Driven by Torsional Motion in Orthogonal Boron Dipyrromethene Dimer34
Zero Phonon Line and Near-Infrared Luminescence in Cs4CdSb2–xCrxCl12 Quadruple-Layered Halide Double Perovskite34
Lead-Free Zero-Dimensional Zn-Based Metal Halides of Highly Efficient Blue Luminescence from Self-Trapping Exciton34
Formation of Epitaxial PdO(100) During the Oxidation of Pd(100)34
Solution-Processed Synaptic Memristors Based on Halide Perovskite Nanocrystals34
Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis Applications34
Design Rules for Selecting Suitable Weakly Solvating Electrolytes for Lithium Metal Batteries34
Multidimensional Quantum Dynamical Simulation of Infrared Spectra under Polaritonic Vibrational Strong Coupling34
Silver Electrodes Are Highly Selective for CO in CO2 Electroreduction due to Interplay between Voltage Dependent Kinetics and Thermodynamics34
Cage-Confinement Induced Emission Enhancement34
A Polarizable Cationic Dummy Metal Ion Model34
Rationalization of Nonlinear Adsorption Energy–Strain Relations and Brønsted–Evans–Polanyi and Transition State Scaling Relationships under Strain33
Simulating the Energy Capture Process in Push–Pull Norbornadiene-Quadricyclane Photoswitches33
Variation of Charge Carrier Dynamics for Polycrystalline Perovskite Films by One-Step Solution and Vapor-Deposition Methods33
Noncovalent Interactions Promoted Kinetics in Perylene Diimide-Based Aqueous Zn-Ion Batteries: An Operando Attenuated Total Reflection Infrared Study33
Insights on Alanine and Arginine Binding to Silica with Atomic Resolution33
Charge-Carrier Dynamics of Evaporated Bismuth-Based Chalcogenide Thin Films Probed with Time-Resolved Microwave Conductivity33
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MoOx Synaptic Memristor with Programmable Multilevel Conductance for Reliable Neuromorphic Hardware33
Electrocatalytic Mechanism and Sabatier Principle in C2N-Supported Atomically Dispersed Catalysts for the Sulfur Reduction Reaction in Lithium–Sulfur Batteries33
The Electro-oxidation of Hydrazine with Palladium Nanoparticle Modified Electrodes: Dissecting Chemical and Physical Effects: Catalysis, Surface Roughness, or Porosity?33
In Situ Active Site for Fe-Catalyzed Fischer–Tropsch Synthesis: Recent Progress and Future Challenges33
Direct Probing of Vibrational Interactions in UiO-66 Polycrystalline Membranes with Femtosecond Two-Dimensional Infrared Spectroscopy33
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